2,2-DIMETHYL-3-THIOMORPHOLINONE

Modify Date: 2026-09-19 21:21:00

2,2-DIMETHYL-3-THIOMORPHOLINONE Structure
2,2-DIMETHYL-3-THIOMORPHOLINONE structure
 Common Name 2,2-DIMETHYL-3-THIOMORPHOLINONE
CAS Number 50847-92-2 Molecular Weight 145.22300
Density N/A Boiling Point N/A
Molecular Formula C6H11NOS Melting Point N/A
MSDS N/A Flash Point N/A

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 2,2-dimethylthiomorpholin-3-one
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Molecular Formula C6H11NOS
Molecular Weight 145.22300
Exact Mass 145.05600
PSA 54.40000
LogP 0.95680
InChIKey HWPDXZVUBFSYIE-UHFFFAOYSA-N
SMILES CC1(C)SCCNC1=O

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XM3064000
CHEMICAL NAME :
3-Thiomorpholinone, 2,2-dimethyl-
CAS REGISTRY NUMBER :
50847-92-2
BEILSTEIN REFERENCE NO. :
0112495
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C6-H11-N-O-S
MOLECULAR WEIGHT :
145.24
WISWESSER LINE NOTATION :
T6MV DSTJ C1 C1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3423 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 6,136,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

Ethyl 2-bromoisobutyrate structure

Ethyl 2-bromois...

CAS#:600-00-0

2-Aminoethanethiol structure

2-Aminoethanethiol

CAS#:60-23-1

~%

2,2-DIMETHYL-3-THIOMORPHOLINONE Structure

2,2-DIMETHYL-3-...

CAS#:50847-92-2

Learn More
Literature: NOVARTIS AG; IRM LLC; CHEN, Bei; FAIRHURST, Robin, Alec; FLOERSHEIMER, Andreas; FURET, Pascal; GUAGNANO, Vito; JIANG, Songchun; LU, Wenshuo; MARSILJE, Thomas, H.; MCCARTHY, Clive; MICHELLYS, Pierre-Yves; STAUFFER, Frederic; STUTZ, Stefan; VAUPEL, Andrea Patent: WO2011/29915 A1, 2011 ; Location in patent: Page/Page column 71-72 ; WO 2011/029915 A1
Aziridine structure

Aziridine

CAS#:151-56-4

2-MERCAPTO-2-METHYL-PROPANOIC ACID ETHYL ESTER structure

2-MERCAPTO-2-ME...

CAS#:33441-50-8

~%

2,2-DIMETHYL-3-THIOMORPHOLINONE Structure

2,2-DIMETHYL-3-...

CAS#:50847-92-2

Learn More
Literature: Lehr,H. et al. Journal of Medicinal Chemistry, 1963 , vol. 6, p. 136 - 141 Full Text View citing articles Show Details Hoffmann-La Roche Patent: US2755278 , 1954 ;
Ethyl 2-bromoisobutyrate structure

Ethyl 2-bromois...

CAS#:600-00-0

~%

2,2-DIMETHYL-3-THIOMORPHOLINONE Structure

2,2-DIMETHYL-3-...

CAS#:50847-92-2

Learn More
Literature: Hoffmann-La Roche Patent: US2755278 , 1954 ;

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

2,2-Dimethyl-3-thiomorpholinone
3-Oxo-2.2-dimethyl-thiomorpholin
2.2-Dimethyl-3-oxo-thiomorpholin
3-Thiomorpholinone,2,2-dimethyl
2,2-Dimethyl-3-thiomorpholone
2,2-dimethyl-thiomorpholin-3-one
2,2-Dimethyl-thiomorpholin-3-on
2,2-dimethyl-3-oxothiomorpholine

 2,2-DIMETHYL-3-THIOMORPHOLINONE | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the SMILES notation of 2,2-dimethylthiomorpholin-3-one?
A: SMILES notation of 2,2-dimethylthiomorpholin-3-one is CC1(C)SCCNC1=O.
Q: What is the molecular weight of 2,2-dimethylthiomorpholin-3-one?
A: Molecular weight of 2,2-dimethylthiomorpholin-3-one is 145.22300.
Q: What is the Chinese name of 50847-92-2?
A: Chinese name of 50847-92-2 is 50847-92-2.
Q: What is the InChIKey of 2,2-dimethylthiomorpholin-3-one?
A: InChIKey of 2,2-dimethylthiomorpholin-3-one is HWPDXZVUBFSYIE-UHFFFAOYSA-N.
Q: What is the polar surface area (PSA) of 2,2-dimethylthiomorpholin-3-one?
A: Polar surface area (PSA) of 2,2-dimethylthiomorpholin-3-one is 54.40000.
Q: What is the LogP of 2,2-dimethylthiomorpholin-3-one?
A: LogP of 2,2-dimethylthiomorpholin-3-one is 0.95680.
Q: What is the English name of 2,2-dimethylthiomorpholin-3-one?
A: The English name of 2,2-dimethylthiomorpholin-3-one is 2,2-dimethylthiomorpholin-3-one.
Q: What English synonyms does 2,2-dimethylthiomorpholin-3-one have?
A: English synonyms of 2,2-dimethylthiomorpholin-3-one: 2,2-Dimethyl-3-thiomorpholinone, 3-Oxo-2.2-dimethyl-thiomorpholin, 2.2-Dimethyl-3-oxo-thiomorpholin, 3-Thiomorpholinone,2,2-dimethyl, 2,2-Dimethyl-3-thiomorpholone, 2,2-dimethyl-thiomorpholin-3-one, 2,2-Dimethyl-thiomorpholin-3-on, 2,2-dimethyl-3-oxothiomorpholine.
Q: What is the CAS number of 2,2-dimethylthiomorpholin-3-one?
A: CAS number of 2,2-dimethylthiomorpholin-3-one is 50847-92-2.
Q: What is the molecular formula of 2,2-dimethylthiomorpholin-3-one?
A: Molecular formula of 2,2-dimethylthiomorpholin-3-one is C6H11NOS.

 2,2-DIMETHYL-3-THIOMORPHOLINONEfactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
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